4ONC
 
 | | Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640 | | Descriptor: | Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) | | Authors: | Feng, X, Chan, H.C, Ko, T.P. | | Deposit date: | 2014-01-28 | | Release date: | 2014-04-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis
J.Am.Chem.Soc., 136, 2014
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4Q48
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7FDO
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7FDN
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7FDM
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7FDL
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4Q47
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4U8C
 | | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409 | | Descriptor: | 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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4U8B
 | | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1358 | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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4IWM
 | | Crystal Structure of the Conserved Hypothetical Protein MJ0927 from Methanocaldococcus jannaschii (in P21 form) | | Descriptor: | UPF0135 protein MJ0927 | | Authors: | Kuan, S.M, Chen, S.C, Yang, C.S, Chen, Y.R, Liu, Y.H, Chen, Y. | | Deposit date: | 2013-01-24 | | Release date: | 2014-01-29 | | Last modified: | 2021-04-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of a conserved hypothetical protein MJ0927 from Methanocaldococcus jannaschii reveals a novel quaternary assembly in the Nif3 family.
Biomed Res Int, 2014, 2014
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4IWG
 | | Crystal Structure of the Conserved Hypothetical Protein MJ0927 from Methanocaldococcus jannaschii (in C2221 form) | | Descriptor: | UPF0135 protein MJ0927 | | Authors: | Kuan, S.M, Chen, S.C, Yang, C.S, Chen, Y.R, Liu, Y.H, Chen, Y. | | Deposit date: | 2013-01-23 | | Release date: | 2014-01-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.472 Å) | | Cite: | Crystal structure of a conserved hypothetical protein MJ0927 from Methanocaldococcus jannaschii reveals a novel quaternary assembly in the Nif3 family.
Biomed Res Int, 2014, 2014
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7EHJ
 | | human MTHFD2 in complex with compound 21, cofactor and phosphate. | | Descriptor: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Lee, L.C, Peng, Y.H, Wu, S.Y. | | Deposit date: | 2021-03-29 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
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7EHN
 | | Human MTHFD2 in complex with compound 21 and 9 | | Descriptor: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Lee, L.C, Peng, Y.H, Wu, S.Y. | | Deposit date: | 2021-03-30 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
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7EHM
 | | Human MTHFD2 in complex with compound 21 and 15 | | Descriptor: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, (2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Lee, L.C, Peng, Y.H, Wu, S.Y. | | Deposit date: | 2021-03-30 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
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7EHV
 | | Human MTHFD2 in complex with compound 21 and 3 | | Descriptor: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Lee, L.C, Peng, Y.H, Wu, S.Y. | | Deposit date: | 2021-03-30 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
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3WSA
 | | The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole | | Descriptor: | N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, Squalene synthase | | Authors: | Shang, N, Li, Q, Huang, C.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-03-05 | | Release date: | 2015-04-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | SQ109, a new drug lead for Chagas disease.
Antimicrob.Agents Chemother., 59, 2015
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9C10
 | | AMG 193, a clinical stage MTA-cooperative PRMT5 inhibitor, drives anti-tumor activity preclinically and in patients with MTAP-deleted cancers | | Descriptor: | (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl){(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl}methanone, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DIMETHYL SULFOXIDE, ... | | Authors: | Ghimire-Rijal, S, Mukund, S. | | Deposit date: | 2024-05-28 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | AMG 193, a Clinical Stage MTA-Cooperative PRMT5 Inhibitor, Drives Antitumor Activity Preclinically and in Patients With MTAP-Deleted Cancers.
Cancer Discov, 2024
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